Vitas-M small molecule compound

(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STL050880
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(c(c1)OC)OCCC(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C34H34N2O7S MW 614.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O7S/c1-18(2)12-13-42-26-11-6-20(16-27(26)41-5)30-29(31(37)21-7-10-25-22(15-21)14-19(3)43-25)32(38)33(39)36(30)34-35-24-9-8-23(40-4)17-28(24)44-34/h6-11,15-19,30,37H,12-14H2,1-5H3/b31-29+
InChIKey
VQPAIFMERJYVAN-OWWNRXNESA-N
Synonyms

(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)5(3methoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC(=C(C=C6)OCCC(C)C)OC)O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(c(c1)OC)OCCC(C)C
InChI=1SC34H34N2O7Sc118(2)1213422611620(1627(26)415)3029(31(37)217102522(1521)1419(3)4325)32(38)33(39)36(30)3435249823(404)1728(24)4434h61115193037H1214H215H3b3129+
MFCD05736457
ZINC000102884711
ZINC000102884716

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Available files

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